(Z)-5-Heptenoic acid

Overview IFRA Botanical Request a quote

  • Identifiers

    SMILES
    C\C=C/CCCC(O)=O

  • Odor profile

    Green 85.03%
    Fruity 80.04%
    Fatty 69.07%
    Waxy 60.01%
    Dairy 52.32%
    Cheesy 51.18%
    Melon 40.52%
    Oily 37.56%
    Vegetable 34.87%
    Sour 32.07%

    Scent© AI

  • Properties

    pKa est.
    8.44 (weak base)

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    228°C

    Flash point est.
    102.59 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 431.79
    methanol 747.07
    isopropanol 208.8
    water 20.7
    ethyl acetate 101.72
    n-propanol 285.45
    acetone 335.55
    n-butanol 224.84
    acetonitrile 65.86
    DMF 948.54
    toluene 26.79
    isobutanol 213.33
    1,4-dioxane 143.24
    methyl acetate 101.47
    THF 527.14
    2-butanone 181.47
    n-pentanol 193.22
    sec-butanol 193.75
    n-hexane 31.29
    ethylene glycol 293.96
    NMP 1094.36
    cyclohexane 10.38
    DMSO 1568.43
    n-butyl acetate 166.74
    n-octanol 95.68
    chloroform 61.12
    n-propyl acetate 115.93
    acetic acid 462.06
    dichloromethane 63.52
    cyclohexanone 316.46
    propylene glycol 325.08
    isopropyl acetate 92.2
    DMAc 593.99
    2-ethoxyethanol 319.15
    isopentanol 232.81
    n-heptane 11.29
    ethyl formate 106.44
    1,2-dichloroethane 88.32
    n-hexanol 208.42
    2-methoxyethanol 523.68
    isobutyl acetate 78.33
    tetrachloromethane 31.89
    n-pentyl acetate 97.64
    transcutol 1224.72
    n-heptanol 87.77
    ethylbenzene 30.74
    MIBK 149.16
    2-propoxyethanol 345.58
    tert-butanol 382.09
    MTBE 156.12
    2-butoxyethanol 190.84
    propionic acid 329.18
    o-xylene 42.23
    formic acid 382.21
    diethyl ether 63.72
    m-xylene 42.9
    p-xylene 39.16
    chlorobenzene 50.68
    dimethyl carbonate 91.19
    n-octane 3.92
    formamide 418.79
    cyclopentanone 591.04
    2-pentanone 190.66
    anisole 103.54
    cyclopentyl methyl ether 248.07
    gamma-butyrolactone 600.21
    1-methoxy-2-propanol 418.37
    pyridine 106.73
    3-pentanone 113.49
    furfural 413.15
    n-dodecane 2.94
    diethylene glycol 341.76
    diisopropyl ether 43.37
    tert-amyl alcohol 353.06
    acetylacetone 234.18
    n-hexadecane 3.25
    acetophenone 132.77
    methyl propionate 136.26
    isopentyl acetate 163.88
    trichloroethylene 171.57
    n-nonanol 76.57
    cyclohexanol 188.58
    benzyl alcohol 120.96
    2-ethylhexanol 114.66
    isooctanol 73.83
    dipropyl ether 71.01
    1,2-dichlorobenzene 71.76
    ethyl lactate 102.89
    propylene carbonate 269.68
    n-methylformamide 433.9
    2-pentanol 144.72
    n-pentane 12.26
    1-propoxy-2-propanol 254.83
    1-methoxy-2-propyl acetate 194.33
    2-(2-methoxypropoxy) propanol 254.29
    mesitylene 37.18
    ε-caprolactone 291.96
    p-cymene 31.84
    epichlorohydrin 356.06
    1,1,1-trichloroethane 77.88
    2-aminoethanol 464.97
    morpholine-4-carbaldehyde 520.17
    sulfolane 1157.17
    2,2,4-trimethylpentane 17.08
    2-methyltetrahydrofuran 354.92
    n-hexyl acetate 164.11
    isooctane 13.33
    2-(2-butoxyethoxy)ethanol 351.98
    sec-butyl acetate 78.06
    tert-butyl acetate 163.41
    decalin 15.17
    glycerin 446.66
    diglyme 437.08
    acrylic acid 329.27
    isopropyl myristate 52.45
    n-butyric acid 300.43
    acetyl acetate 74.1
    di(2-ethylhexyl) phthalate 82.12
    ethyl propionate 95.82
    nitromethane 462.41
    1,2-diethoxyethane 149.38
    benzonitrile 88.21
    trioctyl phosphate 58.68
    1-bromopropane 35.06
    gamma-valerolactone 541.95
    n-decanol 55.68
    triethyl phosphate 64.87
    4-methyl-2-pentanol 113.3
    propionitrile 77.44
    vinylene carbonate 177.68
    1,1,2-trichlorotrifluoroethane 409.59
    DMS 130.9
    cumene 34.73
    2-octanol 57.89
    2-hexanone 170.42
    octyl acetate 75.48
    limonene 52.0
    1,2-dimethoxyethane 321.0
    ethyl orthosilicate 61.87
    tributyl phosphate 80.85
    diacetone alcohol 335.81
    N,N-dimethylaniline 104.4
    acrylonitrile 110.31
    aniline 100.63
    1,3-propanediol 381.89
    bromobenzene 39.37
    dibromomethane 45.73
    1,1,2,2-tetrachloroethane 170.53
    2-methyl-cyclohexyl acetate 109.82
    tetrabutyl urea 107.78
    diisobutyl methanol 64.88
    2-phenylethanol 130.02
    styrene 31.28
    dioctyl adipate 101.5
    dimethyl sulfate 288.2
    ethyl butyrate 95.88
    methyl lactate 185.66
    butyl lactate 146.18
    diethyl carbonate 64.5
    propanediol butyl ether 318.18
    triethyl orthoformate 78.24
    p-tert-butyltoluene 32.75
    methyl 4-tert-butylbenzoate 145.88
    morpholine 256.93
    tert-butylamine 207.3
    n-dodecanol 38.42
    dimethoxymethane 250.46
    ethylene carbonate 137.06
    cyrene 240.35
    2-ethoxyethyl acetate 152.66
    2-ethylhexyl acetate 118.0
    1,2,4-trichlorobenzene 99.52
    4-methylpyridine 123.77
    dibutyl ether 64.19
    2,6-dimethyl-4-heptanol 64.88
    DEF 256.28
    dimethyl isosorbide 337.89
    tetrachloroethylene 138.85
    eugenol 158.06
    triacetin 164.76
    span 80 212.55
    1,4-butanediol 189.58
    1,1-dichloroethane 54.51
    2-methyl-1-pentanol 203.29
    methyl formate 240.05
    2-methyl-1-butanol 233.34
    n-decane 5.26
    butyronitrile 81.9
    3,7-dimethyl-1-octanol 105.16
    1-chlorooctane 30.37
    1-chlorotetradecane 10.68
    n-nonane 5.3
    undecane 3.8
    tert-butylcyclohexane 19.81
    cyclooctane 5.58
    cyclopentanol 307.25
    tetrahydropyran 124.16
    tert-amyl methyl ether 152.15
    2,5,8-trioxanonane 331.31
    1-hexene 66.77
    2-isopropoxyethanol 222.01
    2,2,2-trifluoroethanol 172.88
    methyl butyrate 146.33

    Scent© AI

1 3

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Spearmint, scotch (Japan) Mentha gracilis Sole, fam. Lamiaceae (Labiatae) 0.03%